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Drug combination refers to the use of two or more drugs to treat a specific disease at the same time. It is currently the mainstream way to treat complex diseases. Compared with single drugs, drug combinations have better efficacy and can…

Quantitative Methods · Quantitative Biology 2024-10-15 Xinxing Yang , Jiachen Li , Xiao Kang , Guojin Pei , Keyu Liu , Genke Yang , Jian Chu

Graph Neural Networks (GNNs) have emerged as a structurally natural approach for molecular toxicity prediction, operating directly on atomic connectivity without the information loss inherent to fixed-length fingerprints. However, the…

Quantitative Methods · Quantitative Biology 2026-05-27 Juergen Dietrich

This paper proposes an encoder-decoder architecture grounded on Generative Adversarial Networks (GANs), that generates a sequence of activities and their timestamps in an end-to-end way. GANs work well with differentiable data such as…

Machine Learning · Computer Science 2020-10-20 Farbod Taymouri , Marcello La Rosa

Neural machine translation systems tend to fail on less decent inputs despite its significant efficacy, which may significantly harm the credibility of this systems-fathoming how and when neural-based systems fail in such cases is critical…

Computation and Language · Computer Science 2020-05-27 Wei Zou , Shujian Huang , Jun Xie , Xinyu Dai , Jiajun Chen

Recent progress in cross-lingual relation and event extraction use graph convolutional networks (GCNs) with universal dependency parses to learn language-agnostic sentence representations such that models trained on one language can be…

Computation and Language · Computer Science 2021-02-19 Wasi Uddin Ahmad , Nanyun Peng , Kai-Wei Chang

Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…

Machine Learning · Computer Science 2025-09-25 Jiayi Xin , Aniruddh Raghu , Nick Bhattacharya , Adam Carr , Melanie Montgomery , Hunter Elliott

Adversarial examples are known to mislead deep learning models to incorrectly classify them, even in domains where such models achieve state-of-the-art performance. Until recently, research on both attack and defense methods focused on…

Cryptography and Security · Computer Science 2019-11-22 Ishai Rosenberg , Asaf Shabtai , Yuval Elovici , Lior Rokach

Neural networks have changed the way machines interpret the world. At their core, they learn by following gradients, adjusting their parameters step by step until they identify the most discriminant patterns in the data. This process gives…

Computer Vision and Pattern Recognition · Computer Science 2025-11-03 Samarup Bhattacharya , Anubhab Bhattacharya , Abir Chakraborty

Deep learning has shown significant potential in diagnosing neurodegenerative diseases from MRI data. However, most existing methods rely heavily on large volumes of labeled data and often yield representations that lack interpretability.…

Computer Vision and Pattern Recognition · Computer Science 2025-09-10 Fangqi Cheng , Yingying Zhao , Xiaochen Yang

The traditional SegNet architecture commonly encounters significant information loss during the sampling process, which detrimentally affects its accuracy in image semantic segmentation tasks. To counter this challenge, we introduce an…

Image and Video Processing · Electrical Eng. & Systems 2024-06-05 Zijun Gao , Qi Wang , Taiyuan Mei , Xiaohan Cheng , Yun Zi , Haowei Yang

GNN-based methods have achieved excellent results as a mainstream task in drug response prediction tasks in recent years. Traditional GNN methods use only the atoms in a drug molecule as nodes to obtain the representation of the molecular…

Biomolecules · Quantitative Biology 2024-12-12 Kun Li , Jia Wu , Bo Du , Sergey V. Petoukhov , Huiting Xu , Zheman Xiao , Wenbin Hu

Generative AI framework-based modeling and prediction of longitudinal human brain images offer an efficient mechanism to track neurodegenerative progression, essential for the assessment of diseases like Alzheimer's. Among the existing…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Ayantika Das , Keerthi Ram , Mohanasankar Sivaprakasam

Albeit having gained significant progress lately, large-scale graph representation learning remains expensive to train and deploy for two main reasons: (i) the repetitive computation of multi-hop message passing and non-linearity in graph…

Machine Learning · Computer Science 2023-03-10 Zhenshuo Zhang , Yun Zhu , Haizhou Shi , Siliang Tang

Generalized Category Discovery (GCD) challenges methods to identify known and novel classes using partially labeled data, mirroring human category learning. Unlike prior GCD methods, which operate within a single modality and require…

Computer Vision and Pattern Recognition · Computer Science 2026-04-17 Jordan Shipard , Arnold Wiliem , Kien Nguyen Thanh , Wei Xiang , Clinton Fookes

Deep learning is found to be vulnerable to adversarial examples. However, its adversarial susceptibility in image caption generation is under-explored. We study adversarial examples for vision and language models, which typically adopt an…

Computer Vision and Pattern Recognition · Computer Science 2021-07-08 Nayyer Aafaq , Naveed Akhtar , Wei Liu , Mubarak Shah , Ajmal Mian

Generative Adversarial Networks (GANs) is a powerful family of models that learn an underlying distribution to generate synthetic data. Many existing studies of GANs focus on improving the realness of the generated image data for visual…

Machine Learning · Computer Science 2021-11-04 Si-An Chen , Chun-Liang Li , Hsuan-Tien Lin

Self-supervised learning usually uses a large amount of unlabeled data to pre-train an encoder which can be used as a general-purpose feature extractor, such that downstream users only need to perform fine-tuning operations to enjoy the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Ziqi Zhou , Shengshan Hu , Ruizhi Zhao , Qian Wang , Leo Yu Zhang , Junhui Hou , Hai Jin

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

Allowing effective inference of latent vectors while training GANs can greatly increase their applicability in various downstream tasks. Recent approaches, such as ALI and BiGAN frameworks, develop methods of inference of latent variables…

Machine Learning · Computer Science 2020-12-22 Yatin Dandi , Homanga Bharadhwaj , Abhishek Kumar , Piyush Rai

In spite of the compelling achievements that deep neural networks (DNNs) have made in medical image computing, these deep models often suffer from degraded performance when being applied to new test datasets with domain shift. In this…

Computer Vision and Pattern Recognition · Computer Science 2018-06-06 Cheng Chen , Qi Dou , Hao Chen , Pheng-Ann Heng
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